N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

C17H27FN2O — CID 115938465

IUPACN-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(NCCCOC1CCCCC1)c1ccc(F)cn1
InChIInChI=1S/C17H27FN2O/c1-2-16(17-10-9-14(18)13-20-17)19-11-6-12-21-15-7-4-3-5-8-15/h9-10,13,15-16,19H,2-8,11-12H2,1H3
InChIKeyWNIIIQVSDFOPTE-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.00
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine

N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (PubChem CID 115938465) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
PubChem CID115938465
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
SMILESCCC(NCCCOC1CCCCC1)c1ccc(F)cn1
InChIInChI=1S/C17H27FN2O/c1-2-16(17-10-9-14(18)13-20-17)19-11-6-12-21-15-7-4-3-5-8-15/h9-10,13,15-16,19H,2-8,11-12H2,1H3
InChIKeyWNIIIQVSDFOPTE-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871123
1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
CID 112583036
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
1-(5-cyclopentyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584681
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
1-(5-fluoro-2-pyridinyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
CID 112583142
1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
CID 112584679
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine (CID 115938465) is N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is CCC(NCCCOC1CCCCC1)c1ccc(F)cn1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
The InChIKey is WNIIIQVSDFOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-2-16(17-10-9-14(18)13-20-17)19-11-6-12-21-15-7-4-3-5-8-15/h9-10,13,15-16,19H,2-8,11-12H2,1H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine?
N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 115938465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).